7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline

C10H7ClN2S — CID 96606057

IUPAC7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline
SMILESClc1ccc2c(c1)NCc1scnc1-2
InChIInChI=1S/C10H7ClN2S/c11-6-1-2-7-8(3-6)12-4-9-10(7)13-5-14-9/h1-3,5,12H,4H2
InChIKeyXFZPCGNHJBIAOX-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.39
Rot. Bonds

About 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline

7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline (PubChem CID 96606057) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline.

Molecular Properties

Compound Name7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline
PubChem CID96606057
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline
SMILESClc1ccc2c(c1)NCc1scnc1-2
InChIInChI=1S/C10H7ClN2S/c11-6-1-2-7-8(3-6)12-4-9-10(7)13-5-14-9/h1-3,5,12H,4H2
InChIKeyXFZPCGNHJBIAOX-UHFFFAOYSA-N
XLogP3.39
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline?
The IUPAC name of 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline (CID 96606057) is 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline.
What is the SMILES notation for 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline?
The canonical SMILES for 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline is Clc1ccc2c(c1)NCc1scnc1-2.
What is the InChIKey of 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline?
The InChIKey is XFZPCGNHJBIAOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-6-1-2-7-8(3-6)12-4-9-10(7)13-5-14-9/h1-3,5,12H,4H2.
What are the key properties of 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline?
7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline has a molecular weight of 222.70 g/mol, XLogP of 3.39, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4,5-dihydro-[1,3]thiazolo[5,4-c]quinoline is sourced from PubChem (CID 96606057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).